RefChem:178299

2-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetate

Also Known As: 2,8-dibenzhydrylcyclooctan-1-one|Cyclooctanone,2,8-bis(diphenylmethyl)|2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt|Quinolinium, 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethyl-, inner salt|2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethylquinolinium, inner salt|Quinolinium, 2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethyl-, inner salt|2-[[3-(Carboxylatomethyl)benzothiazol-2(3H)-ylidene]methyl]-1-ethylquinolinium|2-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetate|Quinolinium, 2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethyl-

Molecular Formula	C21H18N2O2S
Molecular Weight	362.1089 g/mol
LogP	2.81
Topological Polar Surface Area	47.25 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	362.1089
Heavy Atoms	26
Complexity	1029.4

Chemical Identifiers

CAS Number	53288-83-8
SMILES	CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC(=O)[O-]